DocumentCode :
3674581
Title :
Operator newton iterative convergence for time dependent density functional theory
Author :
Joseph W. Jerome
Author_Institution :
Northwestern Univ., Evanston, IL, USA
fYear :
2015
Firstpage :
1
Lastpage :
4
Abstract :
In a recent publication, the author has established the existence of a unique weak solution of the initial/boundaryvalue problem for a closed quantum system modeled by time dependent density function theory (TDDFT). We describe a Newton iteration, based upon the technique used to prove (unique) existence for the TDDFT model.We show that successive approximation at the operator level, based upon the evolution operator, is sufficient to obtain a `starting iterate´ for Newton´s method. We discuss the so-called quadratic convergence associated with Newton´s method. In the process, we obtain a Kantorovich type theorem for TDDFT.
Keywords :
"Density functional theory","Approximation methods","Convergence","Mathematical model","Newton method","Presses","Correlation"
Publisher :
ieee
Conference_Titel :
Computational Electronics (IWCE), 2015 International Workshop on
Type :
conf
DOI :
10.1109/IWCE.2015.7301967
Filename :
7301967
Link To Document :
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